[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane

C115H106ClN29O4 — CID 167568035

About [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane

[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane (PubChem CID 167568035) has the molecular formula C115H106ClN29O4 and a molecular weight of 1993.76 g/mol. Its IUPAC name is [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane.

Molecular Properties

• Compound Name: [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane
• PubChem CID: 167568035
• Molecular Formula: C115H106ClN29O4
• Molecular Weight: 1993.76 g/mol
• Exact Mass: 1991.87
• IUPAC Name: [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane
• SMILES: C.CC(=O)Nc1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)c(CO)c1.Cc1nc(N)c2c(ccc3c2ccn3Cc2cc(N)ccc2CO)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1.[C-]#[N+]c1ccc(-n2ccc3c4c(N)nc(C)nc4ccc32)cc1.[C-]#[N+]c1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)cc1
• InChI: InChI=1S/C21H21N5O2.2C19H19N5O.C19H15N5.C18H15ClN4.C18H13N5.CH4/c1-12-23-18-5-6-19-17(20(18)21(22)24-12)7-8-26(19)10-14-3-4-16(25-13(2)28)9-15(14)11-27;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-13-8-14(20)3-2-12(13)10-25;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25;1-12-22-16-7-8-17-15(18(16)19(20)23-12)9-10-24(17)11-13-3-5-14(21-2)6-4-13;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12;1-11-21-15-7-8-16-14(17(15)18(19)22-11)9-10-23(16)13-5-3-12(20-2)4-6-13;/h3-9,27H,10-11H2,1-2H3,(H,25,28)(H2,22,23,24);2*2-8,25H,9-10,20H2,1H3,(H2,21,22,23);3-10H,11H2,1H3,(H2,20,22,23);2-9H,10H2,1H3,(H2,20,21,22);3-10H,1H3,(H2,19,21,22);1H4
• InChIKey: FNQKJENXCRDISG-UHFFFAOYSA-N
• XLogP: 21.07
• TPSA: 490.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 30
• Rotatable Bonds: 15
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1993.76
LogP ≤ 5	21.07
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane?

The IUPAC name of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane (CID 167568035) is [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane.

What is the SMILES notation for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane?

The canonical SMILES for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane is C.CC(=O)Nc1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)c(CO)c1.Cc1nc(N)c2c(ccc3c2ccn3Cc2cc(N)ccc2CO)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(Cl)cc2)n1.Cc1nc(N)c2c(ccc3c2ccn3Cc2ccc(N)cc2CO)n1.[C-]#[N+]c1ccc(-n2ccc3c4c(N)nc(C)nc4ccc32)cc1.[C-]#[N+]c1ccc(Cn2ccc3c4c(N)nc(C)nc4ccc32)cc1.

What is the InChIKey of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane?

The InChIKey is FNQKJENXCRDISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.2C19H19N5O.C19H15N5.C18H15ClN4.C18H13N5.CH4/c1-12-23-18-5-6-19-17(20(18)21(22)24-12)7-8-26(19)10-14-3-4-16(25-13(2)28)9-15(14)11-27;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-13-8-14(20)3-2-12(13)10-25;1-11-22-16-4-5-17-15(18(16)19(21)23-11)6-7-24(17)9-12-2-3-14(20)8-13(12)10-25;1-12-22-16-7-8-17-15(18(16)19(20)23-12)9-10-24(17)11-13-3-5-14(21-2)6-4-13;1-11-21-15-6-7-16-14(17(15)18(20)22-11)8-9-23(16)10-12-2-4-13(19)5-3-12;1-11-21-15-7-8-16-14(17(15)18(19)22-11)9-10-23(16)13-5-3-12(20-2)4-6-13;/h3-9,27H,10-11H2,1-2H3,(H,25,28)(H2,22,23,24);2*2-8,25H,9-10,20H2,1H3,(H2,21,22,23);3-10H,11H2,1H3,(H2,20,22,23);2-9H,10H2,1H3,(H2,20,21,22);3-10H,1H3,(H2,19,21,22);1H4.

What are the key properties of [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane?

[4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane has a molecular weight of 1993.76 g/mol, XLogP of 21.07, 15 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [4-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;[5-amino-2-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]phenyl]methanol;N-[4-[(1-amino-3-methylpyrrolo[3,2-f]quinazolin-7-yl)methyl]-3-(hydroxymethyl)phenyl]acetamide;7-[(4-chlorophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-[(4-isocyanophenyl)methyl]-3-methylpyrrolo[3,2-f]quinazolin-1-amine;7-(4-isocyanophenyl)-3-methylpyrrolo[3,2-f]quinazolin-1-amine;methane is sourced from PubChem (CID 167568035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).